methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate

C11H13N3O3 — CID 43378341

IUPACmethyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
SMILESCOC(=O)CCCn1nc2ccccn2c1=O
InChIInChI=1S/C11H13N3O3/c1-17-10(15)6-4-8-14-11(16)13-7-3-2-5-9(13)12-14/h2-3,5,7H,4,6,8H2,1H3
InChIKeyXHONYXHSPAJQDN-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.45
Rot. Bonds4

About methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate

methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate (PubChem CID 43378341) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
PubChem CID43378341
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namemethyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
SMILESCOC(=O)CCCn1nc2ccccn2c1=O
InChIInChI=1S/C11H13N3O3/c1-17-10(15)6-4-8-14-11(16)13-7-3-2-5-9(13)12-14/h2-3,5,7H,4,6,8H2,1H3
InChIKeyXHONYXHSPAJQDN-UHFFFAOYSA-N
XLogP0.45
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55861984
N-(2-oxobutyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 75395634
1-[(2R)-butan-2-yl]-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 94796607
2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115870969
methyl 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)propanoate
CID 66273457
methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate
CID 60966575
2-(5-amino-4,4-dimethylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 65254173
2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 106800246

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate?
The IUPAC name of methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate (CID 43378341) is methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate.
What is the SMILES notation for methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate?
The canonical SMILES for methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate is COC(=O)CCCn1nc2ccccn2c1=O.
What is the InChIKey of methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate?
The InChIKey is XHONYXHSPAJQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-10(15)6-4-8-14-11(16)13-7-3-2-5-9(13)12-14/h2-3,5,7H,4,6,8H2,1H3.
What are the key properties of methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate?
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate has a molecular weight of 235.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate is sourced from PubChem (CID 43378341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).